MMsINC Database Search


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MMsINC code: MMs03088516

Type: Neutral
Formula: C₂₇H₂₆N₂O

SMILES:

O(c1c2nc(c3CCN(c3c2ccc1)c1ccc(cc1)C(C)C)C)c1ccccc1

InChI:

InChI=1/C27H26N2O/c1-18(2)20-12-14-21(15-13-20)29-17-16-23-19(3)28-26-24(27(23)29)10-7-11-25(26)30-22-8-5-4-6-9-22/h4-15,18H,16-17H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=143.259 kcal/mol

Physical Properties
Molecular Weight: 394.518 g/mol	logS: -7.50902	SlogP: 7.15309	Reactive groups: 0

Topological Properties
Globularity: 0.0648936	Sterimol/B1: 2.16765	Sterimol/B2: 3.47088	Sterimol/B3: 4.08319
Sterimol/B4: 10.5391	Sterimol/L: 17.2639

Surface and Volume Properties
Accessible surface: 692.828	Positive charged surface: 450.229	Negative charged surface: 237.806	Volume: 405.625
Hydrophobic surface: 630.952	Hydrophilic surface: 61.876

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.