MMsINC Database Search


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MMsINC code: MMs00875839

Type: Neutral
Formula: C₂₄H₂₉N₃O₃

SMILES:

O(C)c1c(OC)cc(cc1OC)-c1nc(N(C)C2CCCCC2)c2c(n1)cccc2

InChI:

InChI=1/C24H29N3O3/c1-27(17-10-6-5-7-11-17)24-18-12-8-9-13-19(18)25-23(26-24)16-14-20(28-2)22(30-4)21(15-16)29-3/h8-9,12-15,17H,5-7,10-11H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=149.73 kcal/mol

Physical Properties
Molecular Weight: 407.514 g/mol	logS: -6.68103	SlogP: 5.0915	Reactive groups: 0

Topological Properties
Globularity: 0.125332	Sterimol/B1: 2.14871	Sterimol/B2: 5.92137	Sterimol/B3: 7.22644
Sterimol/B4: 7.81772	Sterimol/L: 15.3238

Surface and Volume Properties
Accessible surface: 699.678	Positive charged surface: 552.168	Negative charged surface: 139.158	Volume: 407.25
Hydrophobic surface: 659.144	Hydrophilic surface: 40.534

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.