MMsINC Database Search


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MMsINC code: MMs01821025

Type: Neutral
Formula: C₂₃H₂₇N₃O₂

SMILES:

O(C)c1cc2c(n(C)c(C)c2C(=O)CN2CCN(CC2)c2ccccc2)cc1

InChI:

InChI=1/C23H27N3O2/c1-17-23(20-15-19(28-3)9-10-21(20)24(17)2)22(27)16-25-11-13-26(14-12-25)18-7-5-4-6-8-18/h4-10,15H,11-14,16H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=184.396 kcal/mol

Physical Properties
Molecular Weight: 377.488 g/mol	logS: -4.00595	SlogP: 3.85942	Reactive groups: 0

Topological Properties
Globularity: 0.0335655	Sterimol/B1: 2.05031	Sterimol/B2: 2.75505	Sterimol/B3: 4.36593
Sterimol/B4: 10.593	Sterimol/L: 18.5383

Surface and Volume Properties
Accessible surface: 664.076	Positive charged surface: 467.742	Negative charged surface: 191.157	Volume: 381.25
Hydrophobic surface: 613.418	Hydrophilic surface: 50.658

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.