MMsINC Database Search


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MMsINC code: MMs00767432

Type: Neutral
Formula: C₂₄H₂₀N₂O₃

SMILES:

O=C1N(CCC(=O)N2CCc3c(C2)cccc3)C(=O)c2c3c1cccc3ccc2

InChI:

InChI=1/C24H20N2O3/c27-21(25-13-11-16-5-1-2-6-18(16)15-25)12-14-26-23(28)19-9-3-7-17-8-4-10-20(22(17)19)24(26)29/h1-10H,11-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.6301 kcal/mol

Physical Properties
Molecular Weight: 384.435 g/mol	logS: -5.71288	SlogP: 3.67717	Reactive groups: 0

Topological Properties
Globularity: 0.0901332	Sterimol/B1: 2.67947	Sterimol/B2: 3.62302	Sterimol/B3: 4.6048
Sterimol/B4: 6.74068	Sterimol/L: 17.2789

Surface and Volume Properties
Accessible surface: 643.735	Positive charged surface: 371.769	Negative charged surface: 259.55	Volume: 363.875
Hydrophobic surface: 552.071	Hydrophilic surface: 91.664

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.