MMsINC Database Search


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MMsINC code: MMs00780847

Type: Neutral
Formula: C₂₃H₃₀N₂O₃

SMILES:

O(C)c1c(cccc1OC)CN1CCC(CC1)C(=O)NCc1ccc(cc1)C

InChI:

InChI=1/C23H30N2O3/c1-17-7-9-18(10-8-17)15-24-23(26)19-11-13-25(14-12-19)16-20-5-4-6-21(27-2)22(20)28-3/h4-10,19H,11-16H2,1-3H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.5996 kcal/mol

Physical Properties
Molecular Weight: 382.504 g/mol	logS: -4.08034	SlogP: 4.07342	Reactive groups: 0

Topological Properties
Globularity: 0.0817197	Sterimol/B1: 3.71445	Sterimol/B2: 4.38998	Sterimol/B3: 4.61774
Sterimol/B4: 8.63012	Sterimol/L: 18.0005

Surface and Volume Properties
Accessible surface: 708.335	Positive charged surface: 523.334	Negative charged surface: 185.001	Volume: 394.5
Hydrophobic surface: 650.701	Hydrophilic surface: 57.634

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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

MMs00780848
CHEMBRIDGE-ZINC04725588