MMsINC Database Search


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MMsINC code: MMs02807921

Type: Neutral
Formula: C₂₇H₂₄N₂O₂

SMILES:

O=C(N1CCCN(CC1)C(=O)c1c2c(ccc1)cccc2)c1c2c(ccc1)cccc2

InChI:

InChI=1/C27H24N2O2/c30-26(24-14-5-10-20-8-1-3-12-22(20)24)28-16-7-17-29(19-18-28)27(31)25-15-6-11-21-9-2-4-13-23(21)25/h1-6,8-15H,7,16-19H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.287 kcal/mol

Physical Properties
Molecular Weight: 408.501 g/mol	logS: -7.36587	SlogP: 4.9813	Reactive groups: 0

Topological Properties
Globularity: 0.404826	Sterimol/B1: 2.097	Sterimol/B2: 3.18407	Sterimol/B3: 6.85664
Sterimol/B4: 9.92683	Sterimol/L: 12.3854

Surface and Volume Properties
Accessible surface: 586.185	Positive charged surface: 357.693	Negative charged surface: 215.893	Volume: 401
Hydrophobic surface: 535.387	Hydrophilic surface: 50.798

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 0

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Ions/Tautomers related molecules: no related molecules available.