MMsINC Database Search


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MMsINC code: MMs01151706

Type: Neutral
Formula: C₂₇H₃₄N₂O₂

SMILES:

O(CCN(C(=O)c1ccc(cc1)CCCC)Cc1n(ccc1)Cc1ccc(cc1)C)C

InChI:

InChI=1/C27H34N2O2/c1-4-5-7-23-13-15-25(16-14-23)27(30)29(18-19-31-3)21-26-8-6-17-28(26)20-24-11-9-22(2)10-12-24/h6,8-17H,4-5,7,18-21H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=150.298 kcal/mol

Physical Properties
Molecular Weight: 418.581 g/mol	logS: -6.08711	SlogP: 6.00899	Reactive groups: 0

Topological Properties
Globularity: 0.0973247	Sterimol/B1: 3.7645	Sterimol/B2: 4.90943	Sterimol/B3: 6.42798
Sterimol/B4: 6.7748	Sterimol/L: 21.4003

Surface and Volume Properties
Accessible surface: 772.21	Positive charged surface: 524.419	Negative charged surface: 247.791	Volume: 446.375
Hydrophobic surface: 693.507	Hydrophilic surface: 78.703

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.